1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one

C17H22N2O2 — CID 80580650

IUPAC1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one
SMILESCC(C)c1ccc(C(O)Cn2ccn(C3CC3)c2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-12(2)13-3-5-14(6-4-13)16(20)11-18-9-10-19(17(18)21)15-7-8-15/h3-6,9-10,12,15-16,20H,7-8,11H2,1-2H3
InChIKeyJSMSLSYOMQVWSR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.84
Rot. Bonds5

About 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one

1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one (PubChem CID 80580650) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one
PubChem CID80580650
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one
SMILESCC(C)c1ccc(C(O)Cn2ccn(C3CC3)c2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-12(2)13-3-5-14(6-4-13)16(20)11-18-9-10-19(17(18)21)15-7-8-15/h3-6,9-10,12,15-16,20H,7-8,11H2,1-2H3
InChIKeyJSMSLSYOMQVWSR-UHFFFAOYSA-N
XLogP2.84
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one (CID 80580650) is 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one is CC(C)c1ccc(C(O)Cn2ccn(C3CC3)c2=O)cc1.
What is the InChIKey of 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one?
The InChIKey is JSMSLSYOMQVWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)13-3-5-14(6-4-13)16(20)11-18-9-10-19(17(18)21)15-7-8-15/h3-6,9-10,12,15-16,20H,7-8,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one?
1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]imidazol-2-one is sourced from PubChem (CID 80580650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).